Geometry & MOs

Info

ID:

47420

PubChem CID:

10532502

Reduced:

SiN2O6C29H45 (1)

Stoich.:

AB2C6D29E45 (1)

Weight, g/mol:

672.311892

ΔHf, kcal/mol:

-242.54

Dipole, Da:

5.55

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759160

Charge, e:

 0

Chem-info

IUPAC name:

2-[(2R,5S,8R,11R,14S)-14-(hydroxymethyl)-8-(1H-indol-3-ylmethyl)-11-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)O[C@H](C)[C@@H]1[C@H]2[C@H](C(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)OC)[C@H]4CC[N+](O4)(C)C)C

DOS

IR

Vibrations